4-[[2-(2-phenylethyl)benzimidazol-1-yl]methyl]benzonitrile

C23H19N3 — CID 39148178

IUPAC4-[[2-(2-phenylethyl)benzimidazol-1-yl]methyl]benzonitrile
SMILESN#Cc1ccc(Cn2c(CCc3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C23H19N3/c24-16-19-10-12-20(13-11-19)17-26-22-9-5-4-8-21(22)25-23(26)15-14-18-6-2-1-3-7-18/h1-13H,14-15,17H2
InChIKeyCXDGYTBUKLZKJL-UHFFFAOYSA-N
MW337.43 g/mol
LogP4.74
Rot. Bonds5

About 4-[[2-(2-phenylethyl)benzimidazol-1-yl]methyl]benzonitrile

4-[[2-(2-phenylethyl)benzimidazol-1-yl]methyl]benzonitrile (PubChem CID 39148178) has the molecular formula C23H19N3 and a molecular weight of 337.43 g/mol. Its IUPAC name is 4-[[2-(2-phenylethyl)benzimidazol-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[2-(2-phenylethyl)benzimidazol-1-yl]methyl]benzonitrile
PubChem CID39148178
Molecular FormulaC23H19N3
Molecular Weight337.43 g/mol
Exact Mass337.16
IUPAC Name4-[[2-(2-phenylethyl)benzimidazol-1-yl]methyl]benzonitrile
SMILESN#Cc1ccc(Cn2c(CCc3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C23H19N3/c24-16-19-10-12-20(13-11-19)17-26-22-9-5-4-8-21(22)25-23(26)15-14-18-6-2-1-3-7-18/h1-13H,14-15,17H2
InChIKeyCXDGYTBUKLZKJL-UHFFFAOYSA-N
XLogP4.74
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)benzimidazole
CID 18878939
1-[(4-tert-butylphenyl)methyl]-2-(2-phenylethyl)benzimidazole
CID 18878938
2-[2-(2-phenylethyl)benzimidazol-1-yl]acetonitrile
CID 39148173
1-benzyl-2-[3-(1-benzylbenzimidazol-2-yl)propyl]benzimidazole
CID 21369618
3-[(2-propylbenzimidazol-1-yl)methyl]benzonitrile
CID 39148040
1-benzyl-2-propylbenzimidazole
CID 764560
1-[(3-methylphenyl)methyl]-2-(2-phenylethyl)benzimidazole
CID 18878943
1-benzylbenzimidazole-2-carbonitrile
CID 15363638
4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]benzonitrile
CID 134083964
4-[(2-pyridin-4-ylbenzimidazol-1-yl)methyl]benzonitrile
CID 39151464
2-(2-phenylethyl)-1-propylbenzimidazole
CID 969694
3-[2-(2-phenylethyl)benzimidazol-1-yl]propanoic acid
CID 82144764

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-phenylethyl)benzimidazol-1-yl]methyl]benzonitrile?
The IUPAC name of 4-[[2-(2-phenylethyl)benzimidazol-1-yl]methyl]benzonitrile (CID 39148178) is 4-[[2-(2-phenylethyl)benzimidazol-1-yl]methyl]benzonitrile.
What is the SMILES notation for 4-[[2-(2-phenylethyl)benzimidazol-1-yl]methyl]benzonitrile?
The canonical SMILES for 4-[[2-(2-phenylethyl)benzimidazol-1-yl]methyl]benzonitrile is N#Cc1ccc(Cn2c(CCc3ccccc3)nc3ccccc32)cc1.
What is the InChIKey of 4-[[2-(2-phenylethyl)benzimidazol-1-yl]methyl]benzonitrile?
The InChIKey is CXDGYTBUKLZKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3/c24-16-19-10-12-20(13-11-19)17-26-22-9-5-4-8-21(22)25-23(26)15-14-18-6-2-1-3-7-18/h1-13H,14-15,17H2.
What are the key properties of 4-[[2-(2-phenylethyl)benzimidazol-1-yl]methyl]benzonitrile?
4-[[2-(2-phenylethyl)benzimidazol-1-yl]methyl]benzonitrile has a molecular weight of 337.43 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-phenylethyl)benzimidazol-1-yl]methyl]benzonitrile is sourced from PubChem (CID 39148178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).